Details of AESCULITANNIN-C
| IUPAC | (1R,7S,15R,19R,26R,27R,31S,32R)-7,19,27-tris(3,4-dihydroxyphenyl)-6,8,18,20,28-pentaoxaoctacyclo[17.11.1.17,15.02,17.05,16.09,14.021,30.024,29]dotriaconta-2(17),3,5(16),9,11,13,21(30),22,24(29)-nonaene-3,11,13,23,26,31,32-heptol |
| Canonical Smiles | C1C(C(OC2=C1C(=CC3=C2C4C(C(O3)(OC5=C4C(=CC6=C5C7C(C(O6)(OC8=CC(=CC(=C78)O)O)C9=CC(=C(C=C9)O)O)O)O)C1=CC(=C(C=C1)O)O)O)O)C1=CC(=C(C=C1)O)O)O |
| Inchi | PGKGIQLKUPNZFG-JTJOKFAUSA-N |
| PubChem ID | 44566946 |
| Smiles | Oc1cc(O)c2c(c1)OC1(c3ccc(O)c(O)c3)Oc3cc(O)c4c(c3C2C1O)OC1(c2ccc(O)c(O)c2)Oc2cc(O)c3c(c2C4C1O)OC(c1ccc(O)c(O)c1)C(O)C3 |
ERROR opening https://cactus.nci.nih.gov/chemical/structure/Oc1cc%28O%29c2c%28c1%29OC1%28c3ccc%28O%29c%28O%29c3%29Oc3cc%28O%29c4c%28c3C2C1O%29OC1%28c2ccc%28O%29c%28O%29c2%29Oc2cc%28O%29c3c%28c2C4C1O%29OC%28c1ccc%28O%29c%28O%29c1%29C%28O%29C3/file?format=sdf&get3d=True -- Oc1cc%28O%29c2c%28c1%29OC1%28c3ccc%28O%29c%28O%29c3%29Oc3cc%28O%29c4c%28c3C2C1O%29OC1%28c2ccc%28O%29c%28O%29c2%29Oc2cc%28O%29c3c%28c2C4C1O%29OC%28c1ccc%28O%29c%28O%29c1%29C%28O%29C3 could not be loaded.
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